Geometry & MOs

Info

ID:	334646
PubChem CID:	127253321
Reduced:	N3O5C26H29 (1)
Stoich.:	A3B5C26D29 (1)
Weight, g/mol:	599.274384
ΔH_f, kcal/mol:	-124.59
Dipole, Da:	3.85
IP(EA), eV:	-8.3(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(7S)-7-acetamido-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-10-yl]amino]-N-(2-methyl-3H-benzimidazol-5-yl)butanamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)CC(CN2C3=C(C4=C(C2=O)C(=C(C=C4)OC)OC)C(=O)C5=CC=CC=C53)O

DOS

IR

Vibrations