Geometry & MOs

Info

ID:	448674
PubChem CID:	135292717
Reduced:	N12O13C44H68 (1)
Stoich.:	A12B13C44D68 (1)
Weight, g/mol:	186.136828
ΔH_f, kcal/mol:	-531.87
Dipole, Da:	4.37
IP(EA), eV:	-8.94(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-amino-2-oxoethyl)-2,4-dimethylpentanamide

Drug info:

PubChemData

Smile

CCC(C)C1C(=O)NC(CN[C@H](C(=O)N[C@@H](CCC(=O)NCC(=O)NC(CN1)(CC2=CC=C(C=C2)O)C=O)C(=O)N(C)CC(=O)N[C@H](C(=O)NCC(=O)N)C(C)(C)C)CC(=O)N)(CCC(=O)N)C=O

DOS

IR

Vibrations