Geometry & MOs

Info

ID:	334676
PubChem CID:	127253351
Reduced:	N3O4C17H21 (1)
Stoich.:	A3B4C17D21 (1)
Weight, g/mol:	581.230805
ΔH_f, kcal/mol:	-122.63
Dipole, Da:	13.0
IP(EA), eV:	-7.0(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)NCCN1C(=O)C(C2CC1(OC3=CC=CC=C23)C)C(=O)N

DOS

IR

Vibrations