Geometry & MOs

Info

ID:	231055
PubChem CID:	87572527
Reduced:	O6N9C55H71 (1)
Stoich.:	A6B9C55D71 (1)
Weight, g/mol:	194.136501
ΔH_f, kcal/mol:	-210.98
Dipole, Da:	5.84
IP(EA), eV:	-8.65(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

Smile

CC(C)(C)C1=CC=C(C=C1)N2[C@@H](CC[C@H]2C3=CC=C(C=C3)C4=CN=C(N4)[C@@H]5CCCN5C(=O)[C@H](C(C)(C)C)NC(=O)OC)C6=CC=C(C=C6)C7=CN=C(N7)[C@@H]8CCCN8C(=O)[C@H](C(C)(C)C)NC(=O)O

DOS

IR

Vibrations