Geometry & MOs

Info

ID:	191276
PubChem CID:	78124137
Reduced:	O33N35C112H191 (1)
Stoich.:	A33B35C112D191 (1)
Weight, g/mol:	2212.140665
ΔH_f, kcal/mol:	-1692.44
Dipole, Da:	11.99
IP(EA), eV:	-9.76(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

Smile

CCCCCCCCCCCCCCCCNCC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)NC(CCC)C(=O)NC(C(C)C)C(=O)NC(CCC(=O)N)C(=O)NC(CCC(=O)N)C(=O)NC(CCC(=O)N)C(=O)NC(CC(=O)N)C(=O)NC(CC(=O)N)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CCCNC(=N)N)C(=O)NC(C)C(=O)NC(C(C)CC)C(=O)NC(CCC(=O)O)C(=O)NC(C)C(=O)NC(CCC(=O)N)C(=O)NC(CCC(=O)N)C(=O)NC(CC1=CN=CN1)C(=O)O

DOS

IR

Vibrations